J099-1048 Screening compound: methyl 4,5-dimethoxy-2-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

J099-1048 Screening compound: methyl 4,5-dimethoxy-2-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate
J099-1048 Screening compound: methyl 4,5-dimethoxy-2-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-1048
methyl 4,5-dimethoxy-2-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J099-1048

Molecular Formula

C22H20N2O6 (C22 H20 N2 O6)

Compound Name

methyl 4,5-dimethoxy-2-{[(6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-5-yl)carbonyl]amino}benzoate

IUPAC name

methyl 45-dimethoxy-2-{9-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraene-10-amido}benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(C1=CN(CCc2ccc3)c2c3C1=O)=O)=O

InChI

InChI=1S/C22H20N2O6/c1-28-17-9-14(22(27)30-3)16(10-18(17)29-2)23-21(26)15-11-24-8-7-12-5-4-6-13(19(12)24)20(15)25/h4-6,9-11H,7-8H2,1-3H3,(H,23,26)

InChI Key

OVDIEAFDAMTWOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

0.337

Water Solubility, LogSw

-3.21

Polar Surface Area

76.077

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J099-1048 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with J099-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-1048?
Check Price and Availability of J099-1048, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J099-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-1048
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J099-1048 available by request